(E)-N-[(2-chloranylpyridin-3-yl)carbamothioyl]-3-(4-morpholin-4-yl-3-nitro-phenyl)prop-2-enamide

Systemtic Name: (E)-N-[(2-chloranylpyridin-3-yl)carbamothioyl]-3-(4-morpholin-4-yl-3-nitro-phenyl)prop-2-enamide Openeye Name: (E)-N-[(2-chloro-3-pyridyl)carbamothioyl]-3-(4-morpholino-3-nitro-phenyl)prop-2-enamide CAS Name: (E)-N-[[(2-chloro-3-pyridinyl)amino]-sulfanylidenemethyl]-3-[4-(4-morpholinyl)-3-nitrophenyl]-2-propenamide IUPAC Name: (E)-N-[(2-chloropyridin-3-yl)carbamothioyl]-3-(4-morpholin-4-yl-3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[(2-chloro-3-pyridyl)thiocarbamoyl]-3-(4-morpholino-3-nitro-phenyl)acrylamide Formula: C19H18ClN5O4S MolecularWeight: 447.89532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C=CC(=O)NC(=S)NC3=C(N=CC=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)/C=C/C(=O)NC(=S)NC3=C(N=CC=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H18ClN5O4S/c20-18-14(2-1-7-21-18)22-19(30)23-17(26)6-4-13-3-5-15(16(12-13)25(27)28)24-8-10-29-11-9-24/h1-7,12H,8-11H2,(H2,22,23,26,30)/b6-4+